1-methyl-6-phenylmethoxyazepan-3-one

C14H19NO2 — CID 118230331

IUPAC1-methyl-6-phenylmethoxyazepan-3-one
SMILESCN1CC(=O)CCC(OCc2ccccc2)C1
InChIInChI=1S/C14H19NO2/c1-15-9-13(16)7-8-14(10-15)17-11-12-5-3-2-4-6-12/h2-6,14H,7-11H2,1H3
InChIKeyDNCXUKLJSVTXNK-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.87
Rot. Bonds3

About 1-methyl-6-phenylmethoxyazepan-3-one

1-methyl-6-phenylmethoxyazepan-3-one (PubChem CID 118230331) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-methyl-6-phenylmethoxyazepan-3-one.

Molecular Properties

Compound Name1-methyl-6-phenylmethoxyazepan-3-one
PubChem CID118230331
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-methyl-6-phenylmethoxyazepan-3-one
SMILESCN1CC(=O)CCC(OCc2ccccc2)C1
InChIInChI=1S/C14H19NO2/c1-15-9-13(16)7-8-14(10-15)17-11-12-5-3-2-4-6-12/h2-6,14H,7-11H2,1H3
InChIKeyDNCXUKLJSVTXNK-UHFFFAOYSA-N
XLogP1.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-phenylmethoxyazepan-3-one?
The IUPAC name of 1-methyl-6-phenylmethoxyazepan-3-one (CID 118230331) is 1-methyl-6-phenylmethoxyazepan-3-one.
What is the SMILES notation for 1-methyl-6-phenylmethoxyazepan-3-one?
The canonical SMILES for 1-methyl-6-phenylmethoxyazepan-3-one is CN1CC(=O)CCC(OCc2ccccc2)C1.
What is the InChIKey of 1-methyl-6-phenylmethoxyazepan-3-one?
The InChIKey is DNCXUKLJSVTXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-15-9-13(16)7-8-14(10-15)17-11-12-5-3-2-4-6-12/h2-6,14H,7-11H2,1H3.
What are the key properties of 1-methyl-6-phenylmethoxyazepan-3-one?
1-methyl-6-phenylmethoxyazepan-3-one has a molecular weight of 233.31 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-phenylmethoxyazepan-3-one is sourced from PubChem (CID 118230331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).